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CHEBI:52030 - murideoxycholic acid
| Formula | C24H40O4 |
| Net Charge | 0 |
| Average Mass | 392.580 |
| Monoisotopic Mass | 392.29266 |
| SMILES | [H][C@@]12C[C@@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1 |
| InChIKey | DGABKXLVXPYZII-PLYQRAMGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (24399466) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8315264) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| murideoxycholic acid (CHEBI:52030) has functional parent cholic acid (CHEBI:16359) |
| murideoxycholic acid (CHEBI:52030) has role human metabolite (CHEBI:77746) |
| murideoxycholic acid (CHEBI:52030) has role mouse metabolite (CHEBI:75771) |
| murideoxycholic acid (CHEBI:52030) is a 3α-hydroxy steroid (CHEBI:36835) |
| murideoxycholic acid (CHEBI:52030) is a 6β-hydroxy steroid (CHEBI:36851) |
| murideoxycholic acid (CHEBI:52030) is conjugate acid of murideoxycholate (CHEBI:58876) |
| Incoming Relation(s) |
| murideoxycholate (CHEBI:58876) is conjugate base of murideoxycholic acid (CHEBI:52030) |
| IUPAC Name |
|---|
| 3α,6β-dihydroxycholan-24-oic acid |
| Synonyms | Source |
|---|---|
| 6beta-Hydroxylithocholate | SUBMITTER |
| 6β-hydroxylithocholic acid | SUBMITTER |
| 3alpha,6beta-Dihydroxy-5beta-cholanic acid | SUBMITTER |
| Murocholic acid | HMDB |
| 6beta-Hydroxylithocholate | KEGG COMPOUND |
| 3alpha,6beta-Dihydroxy-5beta-cholanic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| LMST04010025 | LIPID MAPS |
| HMDB0000811 | HMDB |
| C15515 | KEGG COMPOUND |
| FDB022259 | FooDB |
| Citations |
|---|